| 940274-28-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 940274-28-2
• 化学式: C₅₀H₄₈N₆O₁₂
• 分子量: 924.964
• InChiKey: MWKGPDIYIBOUIB-NQOGYPPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.26
• 重原子数：
  68.0
• 可旋转键数：
  6.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  231.56
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  四乙二醇二对甲苯磺酸酯 、 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以65%的产率得到
  参考文献：
  名称：

  Regioselective Complexation of Metal Ion in Chromogenic Calix[4]biscrowns

  摘要：

  A series of 1,3-alternate chromogenic azo-coupled calix[4]biscrowns in which the crown size varied with crown-5 and crown-6 have been synthesized. From the results of UV/vis band shift upon metal ion complexation, metal ions were entrapped only by the upper crown loop, causing the hypsochromic shift on the UV/vis spectra. Calix-[4]bis(crown-5)(crown-6) revealed K+ ion selectivity while calix[4]bis(crown-6)(crown-6) showed Cs+ ion selectivity caused by a size complementarity between hosts and guest ions. From the UV band shift of 4 in which the NO2 group is replaced by the NH2 group, we observed bathochromic shift upon the metal ion addition, indicating that the metal ion is encapsulated in the lower crown ring because of strengthened pi-cation interaction by introducing the electron-donating NH2 unit regardless of the steric hindrance between two azo-phenyl groups adjacent to the crown ring.

  DOI：

  10.1021/jo049954o
• 作为产物：
  描述：

  4-nitrobenzenediazonium tetrafluoroborate 、 calix<4>crown-6 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以38%的产率得到
  参考文献：
  名称：

  UV Band Splitting of Chromogenic Azo-Coupled Calix[4]crown upon Cation Complexation

  摘要：

  Calixcrown-6 compounds carrying a pair of phenylazo moieties on the upper rim and two OH groups, one OH group, and two OR groups on the lower rim have been prepared in both the cone and partial cone conformations. UV/vis spectral measurements showed a red shift upon the addition of Ca2+ to the calixcrown carrying two OH groups and a blue shift for the calixcrown carrying two OR groups. For the compounds with two OR groups on the lower rim and a fixed partial cone conformation, a blue shift caused by electrostatic interaction between the oxygen atoms of OR and the metal ion as well as a red shift caused by the T-metal complexation between the rotated calix benzene and the metal ion were observed.

  DOI：

  10.1021/jo020684o

文献信息

• Calix[4]crown in dual sensing functions with FRET
  作者：Seoung Ho Lee、Sung Kuk Kim、Ju Han Bok、Suh Hyun Lee、Juyoung Yoon、Kilsung Lee、Jong Seung Kim

  DOI：10.1016/j.tetlet.2005.09.117

  日期：2005.11

  A new calix[4]crown chemosensor based on dual sensing probes reveals Pb2+ ion selectivity over other metal ions, which arises from a hypsochromic shift of azo units in UV spectrum as well as a fluorescence enhancement of pyrenyl parts in fluorescence spectrum via a suppressed FRET. (c) 2005 Published by Elsevier Ltd.